2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine

C24H36N6 — CID 99644863

IUPAC2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCC[C@@H](C)Nc1nc(C)cc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C24H36N6/c1-5-30(6-2)15-9-10-18(3)27-24-28-19(4)16-23(29-24)25-14-13-20-17-26-22-12-8-7-11-21(20)22/h7-8,11-12,16-18,26H,5-6,9-10,13-15H2,1-4H3,(H2,25,27,28,29)/t18-/m1/s1
InChIKeySUXUDORZKKZLJK-GOSISDBHSA-N
MW408.59 g/mol
LogP4.84
Rot. Bonds12

About 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine

2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 99644863) has the molecular formula C24H36N6 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID99644863
Molecular FormulaC24H36N6
Molecular Weight408.59 g/mol
Exact Mass408.30
IUPAC Name2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)CCC[C@@H](C)Nc1nc(C)cc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C24H36N6/c1-5-30(6-2)15-9-10-18(3)27-24-28-19(4)16-23(29-24)25-14-13-20-17-26-22-12-8-7-11-21(20)22/h7-8,11-12,16-18,26H,5-6,9-10,13-15H2,1-4H3,(H2,25,27,28,29)/t18-/m1/s1
InChIKeySUXUDORZKKZLJK-GOSISDBHSA-N
XLogP4.84
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112922446
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112922394
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
2-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919733
2-N-(1,3-benzodioxol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922428
2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 146598297
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684
4-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932553
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
4-N-(2,4-difluorophenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922491

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 99644863) is 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine is CCN(CC)CCC[C@@H](C)Nc1nc(C)cc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is SUXUDORZKKZLJK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H36N6/c1-5-30(6-2)15-9-10-18(3)27-24-28-19(4)16-23(29-24)25-14-13-20-17-26-22-12-8-7-11-21(20)22/h7-8,11-12,16-18,26H,5-6,9-10,13-15H2,1-4H3,(H2,25,27,28,29)/t18-/m1/s1.
What are the key properties of 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine?
2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 408.59 g/mol, XLogP of 4.84, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R)-5-(diethylamino)pentan-2-yl]-4-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 99644863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).