5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

C14H25N5 — CID 80982944

IUPAC5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NCCN1CCCC1
InChIInChI=1S/C14H25N5/c1-10(2)13-17-12(15)11(3)14(18-13)16-6-9-19-7-4-5-8-19/h10H,4-9H2,1-3H3,(H3,15,16,17,18)
InChIKeyNPAJZERUUKEASG-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.00
Rot. Bonds5

About 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80982944) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID80982944
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NCCN1CCCC1
InChIInChI=1S/C14H25N5/c1-10(2)13-17-12(15)11(3)14(18-13)16-6-9-19-7-4-5-8-19/h10H,4-9H2,1-3H3,(H3,15,16,17,18)
InChIKeyNPAJZERUUKEASG-UHFFFAOYSA-N
XLogP2.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107165525
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343135
4-N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984374
[2-[[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80992379
2-tert-butyl-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80980968
2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327553
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine (CID 80982944) is 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NCCN1CCCC1.
What is the InChIKey of 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is NPAJZERUUKEASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(2)13-17-12(15)11(3)14(18-13)16-6-9-19-7-4-5-8-19/h10H,4-9H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80982944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).