4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

C19H32N4O — CID 163616117

IUPAC4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(CC2CCCO2)C2CCCCCCCC2)ncn1
InChIInChI=1S/C19H32N4O/c1-20-18-13-19(22-15-21-18)23(14-17-11-8-12-24-17)16-9-6-4-2-3-5-7-10-16/h13,15-17H,2-12,14H2,1H3,(H,20,21,22)
InChIKeyHKEDWWHBEVGCGW-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.01
Rot. Bonds5

About 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 163616117) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID163616117
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(CC2CCCO2)C2CCCCCCCC2)ncn1
InChIInChI=1S/C19H32N4O/c1-20-18-13-19(22-15-21-18)23(14-17-11-8-12-24-17)16-9-6-4-2-3-5-7-10-16/h13,15-17H,2-12,14H2,1H3,(H,20,21,22)
InChIKeyHKEDWWHBEVGCGW-UHFFFAOYSA-N
XLogP4.01
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(1-Morpholin-4-ylpropan-2-ylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144609
6-N-(cyclopropylmethyl)-4-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-4-N-methylpyrimidine-4,6-diamine
CID 128979215
2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine
CID 164638257
4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 171359760
[1-[6-[1-(2,2,2-Trifluoroethoxy)propan-2-ylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144562
6-fluoro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
CID 82729310
[(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764024
[(2R)-1-[6-[[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764025
[(2S)-1-[6-[[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 98767135
6-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770782
6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770783
4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770784

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 163616117) is 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is CNc1cc(N(CC2CCCO2)C2CCCCCCCC2)ncn1.
What is the InChIKey of 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is HKEDWWHBEVGCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-20-18-13-19(22-15-21-18)23(14-17-11-8-12-24-17)16-9-6-4-2-3-5-7-10-16/h13,15-17H,2-12,14H2,1H3,(H,20,21,22).
What are the key properties of 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 332.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclononyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 163616117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).