4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine

C18H27N5 — CID 112855591

IUPAC4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(Nc2ccc(N(CC)CC)cc2)ncn1
InChIInChI=1S/C18H27N5/c1-5-14(4)21-17-12-18(20-13-19-17)22-15-8-10-16(11-9-15)23(6-2)7-3/h8-14H,5-7H2,1-4H3,(H2,19,20,21,22)
InChIKeyCRYGHFXSLODREJ-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.28
Rot. Bonds8

About 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine

4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine (PubChem CID 112855591) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
PubChem CID112855591
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(Nc2ccc(N(CC)CC)cc2)ncn1
InChIInChI=1S/C18H27N5/c1-5-14(4)21-17-12-18(20-13-19-17)22-15-8-10-16(11-9-15)23(6-2)7-3/h8-14H,5-7H2,1-4H3,(H2,19,20,21,22)
InChIKeyCRYGHFXSLODREJ-UHFFFAOYSA-N
XLogP4.28
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
4-N-butan-2-yl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112855607
4-N-butan-2-yl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112855599
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
1-[4-[6-[4-(diethylamino)anilino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346100
4-N-butan-2-yl-6-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112855546
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395
N-tert-butyl-6-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109353919
methyl 3-[[6-(butan-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112855586
1-[4-[[6-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866700

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine (CID 112855591) is 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine is CCC(C)Nc1cc(Nc2ccc(N(CC)CC)cc2)ncn1.
What is the InChIKey of 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine?
The InChIKey is CRYGHFXSLODREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-5-14(4)21-17-12-18(20-13-19-17)22-15-8-10-16(11-9-15)23(6-2)7-3/h8-14H,5-7H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine?
4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine has a molecular weight of 313.45 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112855591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).