4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine

C16H27N5O — CID 50969661

IUPAC4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine
SMILESCc1cnc(N[C@H]2COC[C@@H]2N2CCCCC2)nc1N(C)C
InChIInChI=1S/C16H27N5O/c1-12-9-17-16(19-15(12)20(2)3)18-13-10-22-11-14(13)21-7-5-4-6-8-21/h9,13-14H,4-8,10-11H2,1-3H3,(H,17,18,19)/t13-,14-/m0/s1
InChIKeyIBSQUVYLXBNRET-KBPBESRZSA-N
MW305.43 g/mol
LogP1.52
Rot. Bonds4

About 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 50969661) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID50969661
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine
SMILESCc1cnc(N[C@H]2COC[C@@H]2N2CCCCC2)nc1N(C)C
InChIInChI=1S/C16H27N5O/c1-12-9-17-16(19-15(12)20(2)3)18-13-10-22-11-14(13)21-7-5-4-6-8-21/h9,13-14H,4-8,10-11H2,1-3H3,(H,17,18,19)/t13-,14-/m0/s1
InChIKeyIBSQUVYLXBNRET-KBPBESRZSA-N
XLogP1.52
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-ethyl-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 50959308
N-(3-methoxypropyl)-1-methyl-N-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-4-piperidinamine
CID 70769900
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194
2-(4-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}piperazin-1-YL)-5-methylpyrimidin-4-amine
CID 56716702
rel-(3aS,6aS)-1-{[2-(4-morpholinyl)-5-pyrimidinyl]methyl}octahydropyrrolo[3,4-b]pyrrole dihydrochloride
CID 70757799
5-Ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 72936189
5-ethyl-2-methyl-N-[(3R*,4R*)-4-morpholin-4-yltetrahydrofuran-3-yl]pyrimidin-4-amine
CID 50948859
Methyl (4-{[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino}piperidin-1-yl)acetate
CID 50971847
N-[1-(morpholin-4-yl)propan-2-yl]pyrimidin-4-amine
CID 61504371

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine (CID 50969661) is 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine is Cc1cnc(N[C@H]2COC[C@@H]2N2CCCCC2)nc1N(C)C.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is IBSQUVYLXBNRET-KBPBESRZSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12-9-17-16(19-15(12)20(2)3)18-13-10-22-11-14(13)21-7-5-4-6-8-21/h9,13-14H,4-8,10-11H2,1-3H3,(H,17,18,19)/t13-,14-/m0/s1.
What are the key properties of 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 305.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50969661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).