2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine

C17H28N4O2 — CID 124859594

IUPAC2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)C[C@H]2CCCO2)nc1N(C)C[C@H]1CCCO1
InChIInChI=1S/C17H28N4O2/c1-13-10-18-17(21(3)12-15-7-5-9-23-15)19-16(13)20(2)11-14-6-4-8-22-14/h10,14-15H,4-9,11-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyDVYXHQHPJUSQEK-HUUCEWRRSA-N
MW320.44 g/mol
LogP2.02
Rot. Bonds6

About 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine

2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 124859594) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
PubChem CID124859594
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)C[C@H]2CCCO2)nc1N(C)C[C@H]1CCCO1
InChIInChI=1S/C17H28N4O2/c1-13-10-18-17(21(3)12-15-7-5-9-23-15)19-16(13)20(2)11-14-6-4-8-22-14/h10,14-15H,4-9,11-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyDVYXHQHPJUSQEK-HUUCEWRRSA-N
XLogP2.02
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518
5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 133498461
2-N,2-N,4-N,5,6-pentamethyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 95124889
4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
5-(bromomethyl)-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 107081226
[5-methyl-6-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]methanol
CID 80632448
N,4-dimethyl-N-(oxan-2-ylmethyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83178527
2-[methyl(oxolan-2-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107546808
[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756
4-N,2,5-trimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80795760
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine (CID 124859594) is 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine is Cc1cnc(N(C)C[C@H]2CCCO2)nc1N(C)C[C@H]1CCCO1.
What is the InChIKey of 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is DVYXHQHPJUSQEK-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-10-18-17(21(3)12-15-7-5-9-23-15)19-16(13)20(2)11-14-6-4-8-22-14/h10,14-15H,4-9,11-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine?
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 320.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 124859594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).